Information card for entry 7101433

Structure parameters

• Formula: C82 H95 B2 N17 Se6 Zn
• Calculated formula: C72 H80 B2 N12 Se6 Zn
• SMILES: [Zn]12([Se]=C3N([BH](N4C(N(C=C4)c4c(cc(cc4C)C)C)=[Se]1)N1C(N(C=C1)c1c(cc(cc1C)C)C)=[Se])C=CN3c1c(cc(cc1C)C)C)[Se]=C1N([BH](N3C(N(C=C3)c3c(cc(cc3C)C)C)=[Se]2)N2C(N(C=C2)c2c(cc(cc2C)C)C)=[Se])C=CN1c1c(cc(cc1C)C)C
• Title of publication: Synthesis and Structural Characterization of Tris(2-seleno-1-mesitylimidazolyl)hydroborato Complexes: A New Type of Strongly Electron Donating Tripodal Selenium Ligand
• Authors of publication: G. Parkin; Victoria K. Landry; Luciano Marchio; Jonathan G. Melnick; Mao Minoura; Keliang Pang
• Journal of publication: Chemical Communications
• Year of publication: 2006
• Journal issue: 38
• a: 20.64 ± 0.003 Å
• b: 18.829 ± 0.003 Å
• c: 24.172 ± 0.004 Å
• α: 90°
• β: 92.623 ± 0.002°
• γ: 90°
• Cell volume: 9384 ± 2 ų
• Cell temperature: 243 ± 2 K
• Ambient diffraction temperature: 243 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1724
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.0836
• Weighted residual factors for all reflections included in the refinement: 0.0898
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No